2-(benzylsulfanyl)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3331-4184 |
| Compound Name: | 2-(benzylsulfanyl)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C22 H22 N2 O3 S |
| Smiles: | CCOc1ccc(cc1OC)C1CC(NC(=C1C#N)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2727 |
| logD: | 3.2387 |
| logSw: | -3.4825 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.756 |
| InChI Key: | PARPPPINWQHJIJ-QGZVFWFLSA-N |